N,N'-bis(N-tert.butoxycarbonyl-3-amino propyl)-4-(6-phenylhexyloxy)-1,3-benzenedimethanamine

HCID 19930282
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Basic information

Standard SMILES
CC(C)(C)OC(=O)NCCCNCc1ccc(OCCCCCCc2ccccc2)c(CNCCCNC(=O)OC(C)(C)C)c1
InChIKey
JPSGERBJWPCMHA-UHFFFAOYSA-N
Molecular formula
C36H58N4O5
Average molar mass
626.9 g/mol

Names & identifiers

Preferred name
N,N'-bis(N-tert.butoxycarbonyl-3-amino propyl)-4-(6-phenylhexyloxy)-1,3-benzenedimethanamine
IUPAC
tert-butyl N-[3-[[3-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]methyl]-4-(6-phenylhexoxy)phenyl]methylamino]propyl]carbamate

Names & synonyms

SCHEMBL9142555JPSGERBJWPCMHA-UHFFFAOYSA-NN,N'-bis(N-tert.butoxycarbonyl-3-amino propyl)-4-(6-phenylhexyloxy)-1,3-benzenedimethanamine

Database identifiers

PubChem CID
19930282

Properties

Computed structural properties

XLogP
6.5
Topological polar surface area
110 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
7
Rotatable bonds
24
Heavy atoms
45

Related reactions

1 records
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Compound notes

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